methyl 6-[(3-cyanophenyl)methyl]-7-oxidanylidene-heptanoate

Systemtic Name: methyl 6-[(3-cyanophenyl)methyl]-7-oxidanylidene-heptanoate Openeye Name: methyl 6-[(3-cyanophenyl)methyl]-7-oxo-heptanoate CAS Name: 6-[(3-cyanophenyl)methyl]-7-oxoheptanoic acid methyl ester IUPAC Name: methyl 6-[(3-cyanophenyl)methyl]-7-oxoheptanoate Traditional Name: 6-(3-cyanobenzyl)-7-keto-enanthic acid methyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(CC1=CC=CC(=C1)C#N)C=O

Isomeric SMILES

COC(=O)CCCCC(CC1=CC=CC(=C1)C#N)C=O

InChI

InChI=1S/C16H19NO3/c1-20-16(19)8-3-2-5-15(12-18)10-13-6-4-7-14(9-13)11-17/h4,6-7,9,12,15H,2-3,5,8,10H2,1H3